1,5-bis[(4-methoxyphenyl)sulfonyl]-9-(3-methylbutyl)-3-methylidene-1,5-diaza-9-azoniacyclododecane

Systemtic Name: 1,5-bis[(4-methoxyphenyl)sulfonyl]-9-(3-methylbutyl)-3-methylidene-1,5-diaza-9-azoniacyclododecane Openeye Name: 9-isopentyl-1,5-bis[(4-methoxyphenyl)sulfonyl]-3-methylene-1,5-diaza-9-azoniacyclododecane CAS Name: 1,5-bis[(4-methoxyphenyl)sulfonyl]-9-(3-methylbutyl)-3-methylene-1,5-diaza-9-azoniacyclododecane IUPAC Name: 1,5-bis[(4-methoxyphenyl)sulfonyl]-9-(3-methylbutyl)-3-methylidene-1,5-diaza-9-azoniacyclododecane Traditional Name: 9-isoamyl-1,5-bis[(4-methoxyphenyl)sulfonyl]-3-methylene-1,5-diaza-9-azoniacyclododecane Formula: C29H44N3O6S2+ MolecularWeight: 594.80616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+]1CCCN(CC(=C)CN(CCC1)S(=O)(=O)C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)CC[NH+]1CCCN(CC(=C)CN(CCC1)S(=O)(=O)C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C29H43N3O6S2/c1-24(2)16-21-30-17-6-19-31(39(33,34)28-12-8-26(37-4)9-13-28)22-25(3)23-32(20-7-18-30)40(35,36)29-14-10-27(38-5)11-15-29/h8-15,24H,3,6-7,16-23H2,1-2,4-5H3/p+1